CID 908

[(iminiomethyl)amino]acetate

Structural Information

Molecular Formula

C₃H₆N₂O₂

SMILES

C(C(=O)O)N=CN

InChI

InChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7)

InChIKey

LLKCTZRWBHOKFF-UHFFFAOYSA-N

Compound name

2-(aminomethylideneamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 133
Patents: 102.04293 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	103.05021	118.0
[M+Na]+	125.03215	126.0
[M+NH4]+	120.07675	124.8
[M+K]+	141.00609	122.5
[M-H]-	101.03565	117.2
[M+Na-2H]-	123.01760	121.2
[M]+	102.04238	118.3
[M]-	102.04348	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe